| SpectraBase Compound ID | KdAb9mYjrbS |
|---|---|
| InChI | InChI=1S/C13H14O4/c1-3-6-16-11-8-13(14)17-12-7-9(15-2)4-5-10(11)12/h4-5,7-8H,3,6H2,1-2H3 |
| InChIKey | YDENCFRLJGFNEM-UHFFFAOYSA-N |
| Mol Weight | 234.25 g/mol |
| Molecular Formula | C13H14O4 |
| Exact Mass | 234.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 18ycHWew6Qs |
|---|---|
| Name | 4-Propyloxy-7-methoxycoumarin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.089208927 u |
| Formula | C13H14O4 |
| InChI | InChI=1S/C13H14O4/c1-3-6-16-11-8-13(14)17-12-7-9(15-2)4-5-10(11)12/h4-5,7-8H,3,6H2,1-2H3 |
| InChIKey | YDENCFRLJGFNEM-UHFFFAOYSA-N |
| Molecular Weight | 234.251 g/mol |
| SMILES | C1(=CC=C2C(=C1)OC(=O)C=C2OCCC)OC |